In silico solvation free energy and thermodynamics properties of H2S in cholinium-based amino acid ionic liquids
Solvation free energy ofH2S infive cholinium-based amino acid ILswas computed using Bennet Acceptance Ratio (BAR)method undermolecular dynamics (MD) simulation. Fromthe predicted free energy, degree of removal of acid gases in liquids system can be measured and quantified by looking at excess chem...
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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier BV
2019
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| Online Access: | http://psasir.upm.edu.my/id/eprint/80213/1/In%20silico%20solvation%20free%20energy%20and%20thermodynamics%20properties%20of%20H2S%20in%20cholinium-based%20amino%20acid%20ionic%20liquids.pdf http://psasir.upm.edu.my/id/eprint/80213/ https://www.sciencedirect.com/science/article/pii/S0167732219326340 |
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| Institution: | Universiti Putra Malaysia |
| Language: | English |